In-Silico Structure Database (LMISSD)

Common Name
TG(24:4(5Z,8Z,11Z,14Z)/22:0/16:1(7Z))
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-docosanoyl-3-(7Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL0301IOH6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
992.877190
Formula
C65H116O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
IKLZSAUTVGGLTQ-BIDLDULCSA-N
InChi (Click to copy)
InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h27,29,32,34,37,39-40,42,46,49,62H,4-26,28,30-31,33,35-36,38,41,43-45,47-48,50-61H2,1-3H3/b29-27-,34-32-,40-37-,42-39-,49-46-/t62-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O

References

Other Databases